Vitas-M small molecule compound
4-methoxy-3-[({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamothioyl)amino]benzoic acid
Catalog ID
STK110704
SMILES COc1ccc(cc1NC(=S)NC(=O)/C=C/c1ccc(cc1)C(C)C)C(=O)O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H22N2O4S MW 398.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4S/c1-13(2)15-7-4-14(5-8-15)6-11-19(24)23-21(28)22-17-12-16(20(25)26)9-10-18(17)27-3/h4-13H,1-3H3,(H,25,26)(H2,22,23,24,28)/b11-6+InChIKey
ZJHNIKZTHFWZRG-IZZDOVSWSA-NSynonyms
532944-18-6(E)3(3(3(4isopropylphenyl)acryloyl)thioureido)4methoxybenzoicacid
3(((((2E)3(4ISOPROPYLPHENYL)PROP2ENOYL)AMINO)CARBONOTHIOYL)AMINO)4METHOXYBENZOICACID
4METHOXY3((((2E)3(4(PROPAN2YL)PHENYL)PROP2ENOYL)CARBAMOTHIOYL)AMINO)BENZOICACID
4METHOXY3(((E)3(4PROPAN2YLPHENYL)PROP2ENOYL)CARBAMOTHIOYLAMINO)BENZOICACID
532944186
CC(C)C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)OC
COc1ccc(cc1NC(=S)NC(=O)C=Cc1ccc(cc1)C(C)C)C(=O)O
InChI=1SC21H22N2O4Sc113(2)157414(5815)61119(24)2321(28)22171216(20(25)26)91018(17)273h413H13H3(H2526)(H222232428)b116+
MFCD03449176
ZINC000002222058
ZINC2222058
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